3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one

C14H10N2O2Se — CID 10335951

IUPAC3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one
SMILESCn1c(=O)[se]c2cc(C(=O)c3cccnc3)ccc21
InChIInChI=1S/C14H10N2O2Se/c1-16-11-5-4-9(7-12(11)19-14(16)18)13(17)10-3-2-6-15-8-10/h2-8H,1H3
InChIKeyXXODWGJULVAORC-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.22
Rot. Bonds2

About 3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one

3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one (PubChem CID 10335951) has the molecular formula C14H10N2O2Se and a molecular weight of 317.21 g/mol. Its IUPAC name is 3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one.

Molecular Properties

Compound Name3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one
PubChem CID10335951
Molecular FormulaC14H10N2O2Se
Molecular Weight317.21 g/mol
Exact Mass317.99
IUPAC Name3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one
SMILESCn1c(=O)[se]c2cc(C(=O)c3cccnc3)ccc21
InChIInChI=1S/C14H10N2O2Se/c1-16-11-5-4-9(7-12(11)19-14(16)18)13(17)10-3-2-6-15-8-10/h2-8H,1H3
InChIKeyXXODWGJULVAORC-UHFFFAOYSA-N
XLogP1.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one?
The IUPAC name of 3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one (CID 10335951) is 3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one.
What is the SMILES notation for 3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one?
The canonical SMILES for 3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one is Cn1c(=O)[se]c2cc(C(=O)c3cccnc3)ccc21.
What is the InChIKey of 3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one?
The InChIKey is XXODWGJULVAORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2Se/c1-16-11-5-4-9(7-12(11)19-14(16)18)13(17)10-3-2-6-15-8-10/h2-8H,1H3.
What are the key properties of 3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one?
3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one has a molecular weight of 317.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(pyridine-3-carbonyl)-1,3-benzoselenazol-2-one is sourced from PubChem (CID 10335951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).